CAS: 933-88-0; 2-Methylbenzoyl Chloride

• 英文名称2-Methylbenzoyl Chloride
• 中文名称邻甲基苯甲酰氯
• IUPAC名称2-methylbenzoyl chloride
• 其它别名(2R)-N-[3-[2-[(3-Methoxy-1-Methylpyrazol-4-yl)Amino]Pyrimidin-4-Yl]-1H-Indol-7-Yl]-2-(4-Methylpiperazin-1-yl)Propanamide; O-Toluoyl Chloride, ; O-Methylbenzoyl Chloride; L4C1Uy2Nyh; O-Methylbenzoylchlorid
• CAS编号933-88-0
• MFCD编号:MFCD00000668
• EINECS号:213-273-8
• 分子式:C8H7ClO
• 分子量:154.59
• 产品CID: 1973168
• 产品分类化学试剂 → 有机试剂 → 酰卤

• 相似结构搜索
• InChIKey: GPZXFICWCMCQPF-UHFFFAOYSA-N
• InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点-18 °C
• 沸点213.5±0.0 °C at 760 mmHg
• 闪点84.1±11.9 °C
• 密度1.2±0.1 g/cm3
• PSA:17.07
• LogP:2.67
• 折射率1.538
• 蒸汽压0.2±0.4 mmHg at 25°C
• 溶解性Reacts With Water.
• 敏感性易受潮
• 外观形态透明淡黄色至黄色至淡粉红色液体
• 储存条件室温, 置于惰性气氛下
• 产品应用用于医药,农药,感光材料,染料等有机合成.在农药工业用于制邻酰胺担菌宁苄杀菌剂,密黄隆除草剂.
• 性质描述纯品为无色透明液体.工业品略带浅黄色,具有强烈的刺激性气味.沸点88-90°C,相对密度1.185(20°C),折射率1.5549,闪点76°C,易水解,与氨,乙醇也发生反应.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05 & GHS07;
  注释: Corrosion & Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀 类别1B
  金属腐蚀物 类别1
  严重眼损伤 类别1
  皮肤腐蚀 类别1C
  易燃液体 类别4
• 警示词Danger(危险)
• 危险描述H335 |可能引起呼吸道刺激.
  H314 |造成严重皮肤灼伤和眼损伤.
  H290 |可能对金属造成腐蚀.
  H318 |造成严重眼损伤.
  H227 |可燃液体
• 防范说明P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
• 危险等级8
• UN编号UN 3265 8/PG 2
• 危险品标志C
• 风险等级Corrosive/Moisture Sensitive
• 包装等级II
• 安全声明23-26-27-36/37/39-45-24/25
• 危险类别码34-36/37
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 O-Toluoyl Chloride 主要起始原料 O-Toluic Acid
• 118-90-1 = 933-88-0
  反应条件:1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane; Rt -> 0 °C; 5 Min,0 °C1.2 Reagents: Thionyl Chloride; 0 °C; 5 H,85 °C
  标题:Highly Chemoselective Transamidation Of Unactivated Tertiary Amides By Electrophilic N-C(O) Activation By Amide-To-Acyl Iodide Re-Routing
  作者:Zuo,Dongxu; Wang,Qun; Liu,Long; Huang,Tianzeng; Szostak,Michal; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(24)]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride; 1.5 H,5 Bar,120 °C
  标题:Design And Synthesis Of N-Benzoyl Amino Acid Derivatives As Dna Methylation Inhibitors
  作者:Garella,Davide; Atlante,Sandra; Borretto,Emily; Cocco,Mattia; Giorgis,Marta; Et Al
  参考文献:Chemical Biology & Drug Design 日期:2016 卷标:88(5) 页码:664-676]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride; 2 - 24 H,Reflux
  标题:Analogues Of Fenarimol Are Potent Inhibitors Of Trypanosoma Cruzi And Are Efficacious In A Murine Model Of Chagas Disease
  作者:Keenan,Martine; Abbott,Michael J.; Alexander,Paul W.; Armstrong,Tanya; Best,Wayne M.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2012 卷标:55(9) 页码:4189-4204]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Oxalyl Chloride Solvents: Benzene; 14 H,Rt
  标题:Side Arm Participation In Lariat Ether Carboxylate-Alkali Metal Cation Complexes In Solution
  作者:Torun,Lokman; Robison,Thomas W.; Krzykawski,Jan; Purkiss,David W.; Bartsch,Richard A.
  参考文献:Tetrahedron 日期:2005 卷标:61(35) 页码:8345-8350]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Toluene; 16 H,Reflux
  标题:Hepatitis B Virus (Hbv) Inhibitor
  参考文献:Russian Federation]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; 0.5 - 3 H,Rt
  标题:Catalytic Aza-Wittig Reaction Of Acid Anhydride For The Synthesis Of 4H-Benzo[d][1,3]Oxazin-4-Ones And 4-Benzylidene-2-Aryloxazol-5(4H)-Ones
  作者:Wang,Long; Xie,Yi-Bi; Huang,Nian-Yu; Yan,Jia-Ying; Hu,Wei-Min; Et Al
  参考文献:Acs Catalysis 日期:2016 卷标:6(6) 页码:4010-4016]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride; 3 H,Reflux
  标题:Design,Synthesis And Antifungal Activity Of Novel 2,5-Disubstituted 1,3,4-Oxadiazoles
  作者:Yu,Xue-Liang; Bao,Jian-An; Sun,Zhong-Wen
  参考文献:Dier Junyi Daxue Xuebao 日期:2012 卷标:33(9) 页码:1019-1023]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride; 4 H,Rt -> Reflux
  标题:Study On Synthesis Of L-(-)-Di(O-Toluoyl)Tartaric Acid
  作者:Li,Zhicheng; Lu,Lihong; Jin,Yan
  参考文献:Huaxue Yu Shengwu Gongcheng 日期:2010 卷标:27(5) 页码:47-48]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane; 5 Min,0 °C1.2 Reagents: Oxalyl Chloride; 0 °C; 4 H,25 °C
  标题:Simple And Practical Conversion Of Benzoic Acids To Phenols At Room Temperature
  作者:Xiong,Wenzhang; Shi,Qiu; Liu,Wenbo H.
  参考文献:Journal Of The American Chemical Society 日期:2022 卷标:144(34) 页码:15894-15902]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane; Rt -> 0 °C; 5 Min,0 °C1.2 Reagents: Oxalyl Chloride; 12 H,Rt
  标题:Iridium-Catalyzed Ligand-Controlled Remote Para-Selective C-H Activation And Borylation Of Twisted Aromatic Amides
  作者:Hoque,Emdadul Md; Bisht,Ranjana; Unnikrishnan,Anju; Dey,Sayan; Mahamudul Hassan,Mirja Md; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(27)]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane; 5 Min,0 °C1.2 Reagents: Oxalyl Chloride; 0 °C; 12 H,Rt
  标题:Amide Effects In C-H Activation: Noncovalent Interactions With L-Shaped Ligand For Meta Borylation Of Aromatic Amides
  作者:Bisht,Ranjana; Hoque,Emdadul Md; Chattopadhyay,Buddhadeb
  参考文献:Angewandte Chemie 日期:2018 卷标:57(48) 页码:15762-15766]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dimethylformamide; Rt -> 90 °C; 3 H,90 °C
  标题:Synthesis Method Of O,M,P-Trifluoromethylbenzoic Acid
  参考文献:China]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride; 2 H,Reflux
  标题:Synthesis And Insecticidal Activity Of New 1,2-Diacyl-1-Alkyl Hydrazines Containing Fragments Of Methylbenzoic And Methoxybenzoic Acids
  作者:Kauhanka,M. U.; Ananich,S. K.; Charnou,Y. G.; Kashkan,Z. N.; Bakhanovich,L. V.
  参考文献:Vestsi Natsyyanal'Nai Akademii Navuk Belarusi 日期:2015 卷标:(2) 页码:63-67]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride; Rt -> Reflux; 7 H,Reflux
  标题:Application Of Ortho-Substituted Benzoyl Compound As Antibacterial Agent
  参考文献:China]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Chloroform; Rt; Rt -> Reflux; 5 H,Reflux; Reflux -> 90 °C
  标题:Study Of Synthesis And Biological Activity Of Novel N-Tert-Butyl Biacyl Hydrazine Derivatives Having Benzofuranyl
  作者:Zhang,Xiangning; Ni,Jueping; Li,Yufeng; Jiang,Mugeng
  参考文献:Nanjing Nongye Daxue Xuebao 日期:2005 卷标:28(4) 页码:135-139]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Chlorine; 16 H,Rt
  标题:Process For Preparing Phthalic Acid Chloride
  参考文献:Korea]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Cyanuric Chloride Catalysts: 1-Pyrrolidinecarboxaldehyde Solvents: Acetonitrile; 4 H,80 °C
  标题:Formamide Catalyzed Activation Of Carboxylic Acids - Versatile And Cost-Efficient Amidation And Esterification
  作者:Huy,Peter H.; Mbouhom,Christelle
  参考文献:Chemical Science 日期:2019 卷标:10(31) 页码:7399-7406]
  
  615-37-2 = 933-88-0
  反应条件:1.1 Reagents: Benzyltriphenylphosphonium Chloride Catalysts: Bis(Tri-Tert-Butylphosphine)Palladium Solvents: Toluene; 24 H,22 °C -> 110 °C
  标题:A Palladium-Catalyzed Carbonylation Approach To Acid Chloride Synthesis
  作者:Quesnel,Jeffrey S.; Arndtsen,Bruce A.
  参考文献:Journal Of The American Chemical Society 日期:2013 卷标:135(45) 页码:16841-16844]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Phosgene Solvents: Tetrahydrofuran; 52 °C
  标题:Continuous Green Synthesis Of O-Toluoyl Chloride In Microchannel Reactor
  参考文献:China]
  
  118-90-1 = 933-88-0
  反应条件:1.1 Reagents: Triphosgene Catalysts: Dimethylformamide Solvents: Chlorobenzene; Rt; Rt -> 100 °C; 30 Min,100 °C; 2 - 3 H,100 °C; Cooled
  标题:Synthesis Of Carboxylic Acid Chlorides From Bis(Trichloromethyl) Carbonate
  作者:Xu,Xiangsheng; Du,Xiaohua; Zheng,Mei; Xu,Zhenyuan
  参考文献:Nongyao 日期:2005 卷标:44(6) 页码:265-266

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
  2903110000-一氯甲烷及氯乙烷
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管